Bbiblioteki

library(dplyr)
library(knitr)
library(corrplot)
library(ggplot2)
library(plotly)
library(e1071)

Ustawienie ziarna

 set.seed(1); 

Wczytanie wstepnie przetworzonych danych

Csv został przygotowany w ‘Raport-czytanie i czyszczenie’

#Data <- read.csv("MyData.csv",  sep=',', comment.char="", na.strings='nan', header=TRUE)
Data <- read.csv("MyData.csv",nrow=3000,  sep=',', comment.char="", na.strings='nan', header=TRUE)

Załadowano 3000 wierszy, które mają 343 zmiennych.

Ograniczenie danych do najczęstszych

Wyselekcjonowanie 50 najczęstszych grup

Data[!duplicated(select(Data, pdb_code, res_name)),] %>% group_by(res_name) %>%summarise(count = n()) %>% arrange(desc(count)) %>% head(50) ->unikalne
Data%>%filter(res_name %in% unikalne$res_name ) -> Data

Data[, c(3:length(Data))] <- sapply(Data[, c(3:length(Data))], as.numeric)
print.data.frame(unikalne)
##    res_name count
## 1       SO4    70
## 2       GOL    69
## 3        ZN    44
## 4        CL    36
## 5        CA    33
## 6       EDO    30
## 7       NAG    28
## 8        MG    24
## 9       HEM    23
## 10      PO4    23
## 11       NA    21
## 12      ACT    16
## 13        K    10
## 14      PEG     9
## 15       CD     8
## 16      FAD     8
## 17       MN     8
## 18      NAD     8
## 19      ACY     7
## 20      EPE     7
## 21      NAP     7
## 22      PG4     7
## 23      FMN     6
## 24      MES     6
## 25       NI     6
## 26      ADP     5
## 27      DMS     5
## 28      PGE     5
## 29      SAM     5
## 30       CU     4
## 31       FE     4
## 32      FMT     4
## 33      GDP     4
## 34      GLC     4
## 35      MPD     4
## 36      TPO     4
## 37      ATP     3
## 38      BGC     3
## 39      BMA     3
## 40      BME     3
## 41      CIT     3
## 42       CO     3
## 43      FES     3
## 44      FUC     3
## 45      GSH     3
## 46      GTP     3
## 47      H4B     3
## 48      IMD     3
## 49      IOD     3
## 50      KCX     3

Podsumowanie danych

kable(summary(Data))
pdb_code res_name local_res_atom_non_h_count local_res_atom_non_h_electron_sum dict_atom_non_h_count dict_atom_non_h_electron_sum local_volume local_electrons local_mean local_std local_min local_max local_max_over_std local_skewness local_cut_by_mainchain_volume local_near_cut_count_C local_near_cut_count_other local_near_cut_count_S local_near_cut_count_O local_near_cut_count_N part_00_shape_segments_count part_00_density_segments_count part_00_volume part_00_electrons part_00_mean part_00_std part_00_max part_00_max_over_std part_00_skewness part_00_parts part_00_shape_O3 part_00_shape_O4 part_00_shape_O5 part_00_shape_FL part_00_shape_O3_norm part_00_shape_O4_norm part_00_shape_O5_norm part_00_shape_FL_norm part_00_shape_I1 part_00_shape_I2 part_00_shape_I3 part_00_shape_I4 part_00_shape_I5 part_00_shape_I6 part_00_shape_I1_norm part_00_shape_I2_norm part_00_shape_I3_norm part_00_shape_I4_norm part_00_shape_I5_norm part_00_shape_I6_norm part_00_shape_M000 part_00_shape_CI part_00_shape_E3_E1 part_00_shape_E2_E1 part_00_shape_E3_E2 part_00_shape_sqrt_E1 part_00_shape_sqrt_E2 part_00_shape_sqrt_E3 part_00_density_O3 part_00_density_O4 part_00_density_O5 part_00_density_FL part_00_density_O3_norm part_00_density_O4_norm part_00_density_O5_norm part_00_density_FL_norm part_00_density_I1 part_00_density_I2 part_00_density_I3 part_00_density_I4 part_00_density_I5 part_00_density_I6 part_00_density_I1_norm part_00_density_I2_norm part_00_density_I3_norm part_00_density_I4_norm part_00_density_I5_norm part_00_density_I6_norm part_00_density_M000 part_00_density_CI part_00_density_E3_E1 part_00_density_E2_E1 part_00_density_E3_E2 part_00_density_sqrt_E1 part_00_density_sqrt_E2 part_00_density_sqrt_E3 part_00_shape_Z_7_3 part_00_shape_Z_0_0 part_00_shape_Z_7_0 part_00_shape_Z_7_1 part_00_shape_Z_3_0 part_00_shape_Z_5_2 part_00_shape_Z_6_1 part_00_shape_Z_3_1 part_00_shape_Z_6_0 part_00_shape_Z_2_1 part_00_shape_Z_6_3 part_00_shape_Z_2_0 part_00_shape_Z_6_2 part_00_shape_Z_5_0 part_00_shape_Z_5_1 part_00_shape_Z_4_2 part_00_shape_Z_1_0 part_00_shape_Z_4_1 part_00_shape_Z_7_2 part_00_shape_Z_4_0 part_00_density_Z_7_3 part_00_density_Z_0_0 part_00_density_Z_7_0 part_00_density_Z_7_1 part_00_density_Z_3_0 part_00_density_Z_5_2 part_00_density_Z_6_1 part_00_density_Z_3_1 part_00_density_Z_6_0 part_00_density_Z_2_1 part_00_density_Z_6_3 part_00_density_Z_2_0 part_00_density_Z_6_2 part_00_density_Z_5_0 part_00_density_Z_5_1 part_00_density_Z_4_2 part_00_density_Z_1_0 part_00_density_Z_4_1 part_00_density_Z_7_2 part_00_density_Z_4_0 part_01_shape_segments_count part_01_density_segments_count part_01_volume part_01_electrons part_01_mean part_01_std part_01_max part_01_max_over_std part_01_skewness part_01_parts part_01_shape_O3 part_01_shape_O4 part_01_shape_O5 part_01_shape_FL part_01_shape_O3_norm part_01_shape_O4_norm part_01_shape_O5_norm part_01_shape_FL_norm part_01_shape_I1 part_01_shape_I2 part_01_shape_I3 part_01_shape_I4 part_01_shape_I5 part_01_shape_I6 part_01_shape_I1_norm part_01_shape_I2_norm part_01_shape_I3_norm part_01_shape_I4_norm part_01_shape_I5_norm part_01_shape_I6_norm part_01_shape_M000 part_01_shape_CI part_01_shape_E3_E1 part_01_shape_E2_E1 part_01_shape_E3_E2 part_01_shape_sqrt_E1 part_01_shape_sqrt_E2 part_01_shape_sqrt_E3 part_01_density_O3 part_01_density_O4 part_01_density_O5 part_01_density_FL part_01_density_O3_norm part_01_density_O4_norm part_01_density_O5_norm part_01_density_FL_norm part_01_density_I1 part_01_density_I2 part_01_density_I3 part_01_density_I4 part_01_density_I5 part_01_density_I6 part_01_density_I1_norm part_01_density_I2_norm part_01_density_I3_norm part_01_density_I4_norm part_01_density_I5_norm part_01_density_I6_norm part_01_density_M000 part_01_density_CI part_01_density_E3_E1 part_01_density_E2_E1 part_01_density_E3_E2 part_01_density_sqrt_E1 part_01_density_sqrt_E2 part_01_density_sqrt_E3 part_01_shape_Z_7_3 part_01_shape_Z_0_0 part_01_shape_Z_7_0 part_01_shape_Z_7_1 part_01_shape_Z_3_0 part_01_shape_Z_5_2 part_01_shape_Z_6_1 part_01_shape_Z_3_1 part_01_shape_Z_6_0 part_01_shape_Z_2_1 part_01_shape_Z_6_3 part_01_shape_Z_2_0 part_01_shape_Z_6_2 part_01_shape_Z_5_0 part_01_shape_Z_5_1 part_01_shape_Z_4_2 part_01_shape_Z_1_0 part_01_shape_Z_4_1 part_01_shape_Z_7_2 part_01_shape_Z_4_0 part_01_density_Z_7_3 part_01_density_Z_0_0 part_01_density_Z_7_0 part_01_density_Z_7_1 part_01_density_Z_3_0 part_01_density_Z_5_2 part_01_density_Z_6_1 part_01_density_Z_3_1 part_01_density_Z_6_0 part_01_density_Z_2_1 part_01_density_Z_6_3 part_01_density_Z_2_0 part_01_density_Z_6_2 part_01_density_Z_5_0 part_01_density_Z_5_1 part_01_density_Z_4_2 part_01_density_Z_1_0 part_01_density_Z_4_1 part_01_density_Z_7_2 part_01_density_Z_4_0 part_02_shape_segments_count part_02_density_segments_count part_02_volume part_02_electrons part_02_mean part_02_std part_02_max part_02_max_over_std part_02_skewness part_02_parts part_02_shape_O3 part_02_shape_O4 part_02_shape_O5 part_02_shape_FL part_02_shape_O3_norm part_02_shape_O4_norm part_02_shape_O5_norm part_02_shape_FL_norm part_02_shape_I1 part_02_shape_I2 part_02_shape_I3 part_02_shape_I4 part_02_shape_I5 part_02_shape_I6 part_02_shape_I1_norm part_02_shape_I2_norm part_02_shape_I3_norm part_02_shape_I4_norm part_02_shape_I5_norm part_02_shape_I6_norm part_02_shape_M000 part_02_shape_CI part_02_shape_E3_E1 part_02_shape_E2_E1 part_02_shape_E3_E2 part_02_shape_sqrt_E1 part_02_shape_sqrt_E2 part_02_shape_sqrt_E3 part_02_density_O3 part_02_density_O4 part_02_density_O5 part_02_density_FL part_02_density_O3_norm part_02_density_O4_norm part_02_density_O5_norm part_02_density_FL_norm part_02_density_I1 part_02_density_I2 part_02_density_I3 part_02_density_I4 part_02_density_I5 part_02_density_I6 part_02_density_I1_norm part_02_density_I2_norm part_02_density_I3_norm part_02_density_I4_norm part_02_density_I5_norm part_02_density_I6_norm part_02_density_M000 part_02_density_CI part_02_density_E3_E1 part_02_density_E2_E1 part_02_density_E3_E2 part_02_density_sqrt_E1 part_02_density_sqrt_E2 part_02_density_sqrt_E3 part_02_shape_Z_7_3 part_02_shape_Z_0_0 part_02_shape_Z_7_0 part_02_shape_Z_7_1 part_02_shape_Z_3_0 part_02_shape_Z_5_2 part_02_shape_Z_6_1 part_02_shape_Z_3_1 part_02_shape_Z_6_0 part_02_shape_Z_2_1 part_02_shape_Z_6_3 part_02_shape_Z_2_0 part_02_shape_Z_6_2 part_02_shape_Z_5_0 part_02_shape_Z_5_1 part_02_shape_Z_4_2 part_02_shape_Z_1_0 part_02_shape_Z_4_1 part_02_shape_Z_7_2 part_02_shape_Z_4_0 part_02_density_Z_7_3 part_02_density_Z_0_0 part_02_density_Z_7_0 part_02_density_Z_7_1 part_02_density_Z_3_0 part_02_density_Z_5_2 part_02_density_Z_6_1 part_02_density_Z_3_1 part_02_density_Z_6_0 part_02_density_Z_2_1 part_02_density_Z_6_3 part_02_density_Z_2_0 part_02_density_Z_6_2 part_02_density_Z_5_0 part_02_density_Z_5_1 part_02_density_Z_4_2 part_02_density_Z_1_0 part_02_density_Z_4_1 part_02_density_Z_7_2 part_02_density_Z_4_0 resolution FoFc_mean FoFc_square_std FoFc_min FoFc_max
4n4o : 49 SO4 :351 Min. : 1.00 Min. : 11.00 Min. : 1.00 Min. : 3.0 Min. : 97.34 Min. : 0.3359 Min. :0.002257 Min. :0.01679 Min. :0 Min. : 0.1087 Min. : 3.145 Min. :0.02982 Min. : 0.0000 Min. : 0 Min. :0.00000 Min. :0.0000 Min. : 0.000 Min. : 0.00 Min. : 1.0 Min. : 1.0 Min. : 2.048 Min. : 0.3359 Min. :0.09946 Min. :0.003911 Min. : 0.1087 Min. : 3.145 Min. :0.00297 Min. :1.000 Min. : 2507 Min. :2.028e+06 Min. :5.290e+08 Min. :1.422e+05 Min. :0.2311 Min. :0.01780 Min. :0.0004538 Min. :0.000003 Min. :3.031e+04 Min. :2.302e+08 Min. :2.145e+08 Min. :5.834e+04 Min. :8.760e+02 Min. :2.698e+07 Min. : 0.06365 Min. :0.001080 Min. : 0.00081 Min. :0.000001 Min. :0.000000 Min. : 0.004909 Min. : 256 Min. :-36.83657 Min. :0.0159 Min. :0.04293 Min. :0.0328 Min. : 1.948 Min. : 1.234 Min. :0.9936 Min. : 438 Min. :6.287e+04 Min. :2.775e+06 Min. :6.341e+03 Min. :0.05486 Min. :0.0009705 Min. :5.570e-06 Min. : 0.000000 Min. :5.581e+03 Min. :8.129e+06 Min. :6.765e+06 Min. :2.562e+03 Min. :4.300e+01 Min. :8.342e+05 Min. : 0.00527 Min. : 0.00001 Min. : 0.0000 Min. : 0.000000 Min. : 0.000000 Min. : 0.0001 Min. : 41.98 Min. :-43.45620 Min. :0.01639 Min. :0.04165 Min. :0.04059 Min. : 1.801 Min. : 1.223 Min. :0.9859 Min. : 8.044 Min. : 7.818 Min. : 1.970 Min. : 5.773 Min. : 1.533 Min. : 5.994 Min. : 3.01 Min. : 4.163 Min. : 0.08336 Min. : 6.703 Min. : 6.003 Min. : 4.133 Min. : 4.718 Min. : 1.59 Min. : 5.02 Min. : 5.704 Min. :0.9021 Min. : 4.086 Min. : 7.096 Min. : 0.1763 Min. : 5.981 Min. : 3.166 Min. : 2.147 Min. : 4.493 Min. : 1.408 Min. : 4.511 Min. : 1.308 Min. : 2.900 Min. : 0.2357 Min. : 2.902 Min. : 2.348 Min. : 2.067 Min. : 1.902 Min. : 2.054 Min. : 3.783 Min. : 2.282 Min. :0.8848 Min. : 1.811 Min. : 5.110 Min. : 0.1512 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. :0.00000 Min. : 0.000 Min. : 1.0 Min. : 4.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 3.0 Min. : 1.0 Min. : 2.0 Min. : 3.0 Min. : 1.0 Min. : 1 Min. : 2.0 Min. : 1 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 3.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 2.0 Min. : 2.0 Min. : 1 Min. : 1.0 Min. : 2.0 Min. : 3.0 Min. : 1.0 Min. : 3.0 Min. : 1.0 Min. : 1 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1 Min. : 1.0 Min. : 2.0 Min. : 2.0 Min. : 2 Min. : 1.0 Min. : 1 Min. : 2.0 Min. : 1.0 Min. : 1 Min. : 1 Min. : 1 Min. : 2 Min. : 2 Min. : 1 Min. : 1.0 Min. : 4.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1 Min. : 2.0 Min. : 1.0 Min. : 1 Min. : 1.0 Min. : 4.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1 Min. : 1.0 Min. : 2 Min. : 1.0 Min. : 1.0 Min. : 0.0 Min. : 0.0 Min. : 0.000 Min. : 0.000 Min. :0.0000 Min. :0.00000 Min. : 0.0000 Min. : 0.000 Min. :0.00000 Min. : 0.000 Min. : 2.0 Min. : 1 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1 Min. : 3.0 Min. : 2.0 Min. : 1 Min. : 2.0 Min. : 1.0 Min. : 4.0 Min. : 4.0 Min. : 3.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 1 Min. : 1 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 2 Min. : 2 Min. : 2 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 3.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 2 Min. : 1 Min. : 1.0 Min. : 1.0 Min. : 6.0 Min. : 2.0 Min. : 5.0 Min. : 1 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 2.0 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 3.0 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1 Min. : 2.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 3.0 Min. : 2.0 Min. : 1.0 Min. : 6.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 4.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 2 Min. : 2.0 Min. : 2.0 Min. : 1.0 Min. : 4.0 Min. : 1.0 Min. : 1 Min. : 1.0 Min. : 1.0 Min. : 2.0 Min. : 1.0 Min. : 1.0 Min. : 1.0 Min. :0.9859 Min. :-6.051e-08 Min. :0.001109 Min. :-2.4216 Min. : 0.2261
5gmh : 46 GOL :218 1st Qu.: 1.00 1st Qu.: 28.00 1st Qu.: 1.00 1st Qu.: 76.0 1st Qu.: 209.38 1st Qu.: 3.2519 1st Qu.:0.012563 1st Qu.:0.07011 1st Qu.:0 1st Qu.: 0.5732 1st Qu.: 5.382 1st Qu.:0.12338 1st Qu.: 0.0000 1st Qu.: 0 1st Qu.:0.00000 1st Qu.:0.0000 1st Qu.: 0.000 1st Qu.: 0.00 1st Qu.: 3.5 1st Qu.: 3.5 1st Qu.: 6.840 1st Qu.: 3.2332 1st Qu.:0.37168 1st Qu.:0.064465 1st Qu.: 0.5732 1st Qu.: 5.382 1st Qu.:0.05575 1st Qu.:1.000 1st Qu.: 26456 1st Qu.:1.747e+08 1st Qu.:3.045e+11 1st Qu.:8.794e+08 1st Qu.:0.2613 1st Qu.:0.02090 1st Qu.:0.0005034 1st Qu.:0.000479 1st Qu.:1.208e+06 1st Qu.:2.049e+11 1st Qu.:5.120e+11 1st Qu.:4.622e+08 1st Qu.:5.215e+07 1st Qu.:1.495e+10 1st Qu.: 0.09012 1st Qu.:0.001739 1st Qu.: 0.00233 1st Qu.:0.000213 1st Qu.:0.000024 1st Qu.: 0.008957 1st Qu.: 855 1st Qu.: -0.64298 1st Qu.:0.1001 1st Qu.:0.23742 1st Qu.:0.3957 1st Qu.: 3.979 1st Qu.: 2.562 1st Qu.:1.9946 1st Qu.: 12014 1st Qu.:3.438e+07 1st Qu.:2.905e+10 1st Qu.:1.309e+08 1st Qu.:0.35704 1st Qu.:0.0376304 1st Qu.:1.155e-03 1st Qu.: 0.001333 1st Qu.:4.895e+05 1st Qu.:3.636e+10 1st Qu.:9.274e+10 1st Qu.:6.820e+07 1st Qu.:1.211e+07 1st Qu.:2.526e+09 1st Qu.: 0.18583 1st Qu.: 0.00706 1st Qu.: 0.0103 1st Qu.: 0.000672 1st Qu.: 0.000107 1st Qu.: 0.0260 1st Qu.: 404.15 1st Qu.: -0.71447 1st Qu.:0.09733 1st Qu.:0.23991 1st Qu.:0.39640 1st Qu.: 3.695 1st Qu.: 2.418 1st Qu.:1.8985 1st Qu.: 15.183 1st Qu.: 14.287 1st Qu.: 6.398 1st Qu.: 9.692 1st Qu.: 5.833 1st Qu.: 14.307 1st Qu.: 11.76 1st Qu.: 11.248 1st Qu.: 5.65074 1st Qu.: 19.402 1st Qu.: 18.413 1st Qu.: 14.460 1st Qu.: 16.001 1st Qu.: 5.37 1st Qu.: 11.05 1st Qu.: 18.736 1st Qu.:1.2951 1st Qu.: 15.316 1st Qu.: 12.797 1st Qu.: 8.0283 1st Qu.: 10.029 1st Qu.: 9.823 1st Qu.: 5.818 1st Qu.: 7.238 1st Qu.: 4.157 1st Qu.: 9.348 1st Qu.: 6.824 1st Qu.: 7.243 1st Qu.: 3.4245 1st Qu.: 13.659 1st Qu.: 11.324 1st Qu.:10.579 1st Qu.: 9.715 1st Qu.: 4.934 1st Qu.: 7.734 1st Qu.: 13.346 1st Qu.:1.2825 1st Qu.: 11.746 1st Qu.: 8.804 1st Qu.: 6.7571 1st Qu.: 3.0 1st Qu.: 3.0 1st Qu.: 4.184 1st Qu.: 2.157 1st Qu.:0.4082 1st Qu.:0.05245 1st Qu.: 0.5732 1st Qu.: 5.382 1st Qu.:0.04463 1st Qu.: 1.000 1st Qu.: 739.5 1st Qu.: 726.5 1st Qu.: 748.5 1st Qu.: 768.5 1st Qu.: 631.5 1st Qu.: 642.5 1st Qu.: 673.5 1st Qu.: 665.5 1st Qu.: 732.5 1st Qu.: 759.5 1st Qu.: 728.5 1st Qu.: 746 1st Qu.: 761.5 1st Qu.: 728 1st Qu.: 632.5 1st Qu.: 646.5 1st Qu.: 632.5 1st Qu.: 668.5 1st Qu.: 738.5 1st Qu.: 631.5 1st Qu.: 553.5 1st Qu.: 657.5 1st Qu.: 897.5 1st Qu.: 848.5 1st Qu.: 879.5 1st Qu.: 910 1st Qu.: 757.5 1st Qu.: 761.5 1st Qu.: 774.5 1st Qu.: 770.5 1st Qu.: 771.5 1st Qu.: 739.5 1st Qu.: 634 1st Qu.: 641.5 1st Qu.: 647.5 1st Qu.: 636.5 1st Qu.: 746.5 1st Qu.: 762.5 1st Qu.: 722.5 1st Qu.: 769.5 1st Qu.: 752.5 1st Qu.: 746.5 1st Qu.: 629.5 1st Qu.: 629.5 1st Qu.: 616.5 1st Qu.: 634.5 1st Qu.: 708.5 1st Qu.: 623.5 1st Qu.: 739 1st Qu.: 669.5 1st Qu.: 906.5 1st Qu.: 867.5 1st Qu.: 883 1st Qu.: 917.5 1st Qu.: 747 1st Qu.: 759.5 1st Qu.: 719.5 1st Qu.: 443 1st Qu.: 782 1st Qu.: 638 1st Qu.: 780 1st Qu.: 684 1st Qu.: 661 1st Qu.: 668.5 1st Qu.: 718.5 1st Qu.: 704.5 1st Qu.: 754.5 1st Qu.: 670.5 1st Qu.: 697 1st Qu.: 751.5 1st Qu.: 668.5 1st Qu.: 699.5 1st Qu.: 923 1st Qu.: 700.5 1st Qu.: 690.5 1st Qu.: 686 1st Qu.: 695.5 1st Qu.: 672.5 1st Qu.: 826.5 1st Qu.: 692.5 1st Qu.: 817.5 1st Qu.: 672.5 1st Qu.: 727.5 1st Qu.: 681.5 1st Qu.: 734.5 1st Qu.: 655.5 1st Qu.: 684.5 1st Qu.: 694.5 1st Qu.: 686.5 1st Qu.: 800.5 1st Qu.: 687.5 1st Qu.: 660 1st Qu.: 916.5 1st Qu.: 667 1st Qu.: 679.5 1st Qu.: 706.5 1st Qu.: 1.0 1st Qu.: 1.0 1st Qu.: 2.440 1st Qu.: 1.329 1st Qu.:0.4239 1st Qu.:0.04147 1st Qu.: 0.5625 1st Qu.: 5.382 1st Qu.:0.03371 1st Qu.: 1.000 1st Qu.: 763.5 1st Qu.: 776 1st Qu.: 777.5 1st Qu.: 790.5 1st Qu.: 631.5 1st Qu.: 638 1st Qu.: 680.5 1st Qu.: 643.5 1st Qu.: 746 1st Qu.: 761.5 1st Qu.: 749.5 1st Qu.: 772.5 1st Qu.: 765.5 1st Qu.: 761.5 1st Qu.: 631.5 1st Qu.: 641.5 1st Qu.: 626.5 1st Qu.: 657.5 1st Qu.: 787.5 1st Qu.: 625.5 1st Qu.: 497 1st Qu.: 673 1st Qu.: 913.5 1st Qu.: 870.5 1st Qu.: 900.5 1st Qu.: 922 1st Qu.: 723 1st Qu.: 753 1st Qu.: 730.5 1st Qu.: 799.5 1st Qu.: 741.5 1st Qu.: 755.5 1st Qu.: 633.5 1st Qu.: 642.5 1st Qu.: 657.5 1st Qu.: 631 1st Qu.: 761 1st Qu.: 735.5 1st Qu.: 759.5 1st Qu.: 785.5 1st Qu.: 751.5 1st Qu.: 787.5 1st Qu.: 635 1st Qu.: 634.5 1st Qu.: 621.5 1st Qu.: 636.5 1st Qu.: 730.5 1st Qu.: 629.5 1st Qu.: 717.5 1st Qu.: 673.5 1st Qu.: 920.5 1st Qu.: 880.5 1st Qu.: 901.5 1st Qu.: 926.5 1st Qu.: 716.5 1st Qu.: 754.5 1st Qu.: 695.5 1st Qu.: 448.5 1st Qu.: 808 1st Qu.: 641.5 1st Qu.: 778.5 1st Qu.: 683.5 1st Qu.: 660.5 1st Qu.: 663.5 1st Qu.: 760.5 1st Qu.: 672.5 1st Qu.: 695.5 1st Qu.: 659.5 1st Qu.: 667.5 1st Qu.: 800.5 1st Qu.: 680.5 1st Qu.: 670.5 1st Qu.: 927.5 1st Qu.: 675.5 1st Qu.: 684.5 1st Qu.: 725.5 1st Qu.: 700.5 1st Qu.: 659.5 1st Qu.: 859.5 1st Qu.: 722.5 1st Qu.: 857.5 1st Qu.: 678.5 1st Qu.: 747.5 1st Qu.: 713 1st Qu.: 736.5 1st Qu.: 671.5 1st Qu.: 684.5 1st Qu.: 684.5 1st Qu.: 702.5 1st Qu.: 830 1st Qu.: 694.5 1st Qu.: 680.5 1st Qu.: 923.5 1st Qu.: 690.5 1st Qu.: 690.5 1st Qu.: 700.5 1st Qu.:1.8876 1st Qu.:-6.771e-11 1st Qu.:0.008378 1st Qu.:-0.8208 1st Qu.: 1.1449
3c8o : 43 NAG :172 Median : 5.00 Median : 48.00 Median :35.00 Median :122.0 Median : 319.23 Median : 7.4162 Median :0.019295 Median :0.09885 Median :0 Median : 0.8618 Median : 7.408 Median :0.17258 Median : 0.0000 Median : 2 Median :0.00000 Median :0.0000 Median : 1.000 Median : 1.00 Median : 16.0 Median : 16.0 Median : 14.416 Median : 7.3902 Median :0.49678 Median :0.122217 Median : 0.8618 Median : 7.408 Median :0.11342 Median :1.000 Median : 87921 Median :2.056e+09 Median :1.369e+13 Median :2.353e+10 Median :0.3422 Median :0.02945 Median :0.0006714 Median :0.003713 Median :5.970e+06 Median :5.992e+12 Median :1.397e+13 Median :1.240e+10 Median :3.372e+09 Median :2.227e+11 Median : 0.18558 Median :0.004715 Median : 0.01430 Median :0.002115 Median :0.000664 Median : 0.028646 Median : 1802 Median : -0.00081 Median :0.2121 Median :0.43568 Median :0.6035 Median : 5.410 Median : 3.436 Median :2.6146 Median : 40340 Median :4.497e+08 Median :1.478e+12 Median :4.382e+09 Median :0.53562 Median :0.0730192 Median :2.670e-03 Median : 0.012727 Median :2.653e+06 Median :1.199e+12 Median :2.482e+12 Median :2.623e+09 Median :8.331e+08 Median :4.724e+10 Median : 0.46449 Median : 0.03206 Median : 0.0839 Median : 0.007483 Median : 0.003047 Median : 0.1080 Median : 923.78 Median : -0.00159 Median :0.21746 Median :0.44486 Median :0.61135 Median : 4.999 Median : 3.211 Median :2.4564 Median : 24.767 Median : 20.741 Median : 8.944 Median : 15.957 Median : 9.862 Median : 23.107 Median : 18.68 Median : 17.334 Median : 9.84362 Median : 28.121 Median : 28.257 Median : 21.740 Median : 24.917 Median :10.76 Median : 18.79 Median : 29.187 Median :1.4309 Median : 25.016 Median : 21.523 Median :14.4267 Median : 17.338 Median :14.850 Median : 7.322 Median : 12.515 Median : 6.970 Median : 16.430 Median : 15.346 Median :11.725 Median : 7.5544 Median : 20.643 Median : 20.848 Median :16.727 Median : 19.436 Median : 8.388 Median : 14.141 Median : 21.722 Median :1.4207 Median : 19.379 Median : 15.654 Median :12.5673 Median : 10.0 Median : 10.0 Median : 10.720 Median : 5.883 Median :0.5437 Median :0.10946 Median : 0.8618 Median : 7.408 Median :0.09916 Median : 1.000 Median :1525.0 Median :1491.0 Median :1497.0 Median :1506.0 Median :1309.0 Median :1330.0 Median :1340.0 Median :1354.0 Median :1477.0 Median :1502.0 Median :1483.0 Median :1485 Median :1494.0 Median :1460 Median :1315.0 Median :1322.0 Median :1318.0 Median :1420.0 Median :1577.0 Median :1315.0 Median :1073.0 Median :1456.0 Median :1687.0 Median :1629.0 Median :1656.0 Median :1586 Median :1426.0 Median :1457.0 Median :1526.0 Median :1529.0 Median :1496.0 Median :1464.0 Median :1271 Median :1295.0 Median :1320.0 Median :1337.0 Median :1485.0 Median :1517.0 Median :1457.0 Median :1510.0 Median :1522.0 Median :1501.0 Median :1282.0 Median :1293.0 Median :1289.0 Median :1354.0 Median :1521.0 Median :1281.0 Median :1450 Median :1458.0 Median :1703.0 Median :1633.0 Median :1661 Median :1584.0 Median :1420 Median :1462.0 Median :1377.0 Median : 926 Median :1586 Median :1408 Median :1560 Median :1353 Median :1363 Median :1369.0 Median :1510.0 Median :1348.0 Median :1413.0 Median :1320.0 Median :1364 Median :1553.0 Median :1391.0 Median :1378.0 Median :1665 Median :1374.0 Median :1359.0 Median :1464 Median :1400.0 Median :1363.0 Median :1608.0 Median :1579.0 Median :1573.0 Median :1411.0 Median :1453.0 Median :1563.0 Median :1519.0 Median :1337.0 Median :1407.0 Median :1379.0 Median :1408.0 Median :1547.0 Median :1521.0 Median :1375 Median :1666.0 Median :1366 Median :1435.0 Median :1488.0 Median : 5.0 Median : 5.0 Median : 8.144 Median : 4.713 Median :0.5866 Median :0.09747 Median : 0.8615 Median : 7.408 Median :0.08659 Median : 1.000 Median :1531.0 Median :1546 Median :1516.0 Median :1548.0 Median :1307.0 Median :1318 Median :1328.0 Median :1362.0 Median :1477 Median :1498.0 Median :1500.0 Median :1502.0 Median :1508.0 Median :1506.0 Median :1310.0 Median :1316.0 Median :1304.0 Median :1476.0 Median :1641.0 Median :1301.0 Median :1019 Median :1475 Median :1691.0 Median :1647.0 Median :1658.0 Median :1583 Median :1405 Median :1454 Median :1516.0 Median :1537.0 Median :1478.0 Median :1533.0 Median :1271.0 Median :1297.0 Median :1321.0 Median :1323 Median :1512 Median :1496.0 Median :1534.0 Median :1550.0 Median :1510.0 Median :1539.0 Median :1284 Median :1286.0 Median :1289.0 Median :1389.0 Median :1591.0 Median :1276.0 Median :1472.0 Median :1471.0 Median :1691.0 Median :1655.0 Median :1654.0 Median :1574.0 Median :1400.0 Median :1452.0 Median :1352.0 Median : 963.0 Median :1597 Median :1538.0 Median :1581.0 Median :1399.0 Median :1411.0 Median :1453.0 Median :1543.0 Median :1327.0 Median :1369.0 Median :1360.0 Median :1360.0 Median :1584.0 Median :1502.0 Median :1354.0 Median :1643.0 Median :1377.0 Median :1390.0 Median :1527.0 Median :1453.0 Median :1407.0 Median :1619.0 Median :1570.0 Median :1590.0 Median :1511.0 Median :1521.0 Median :1573 Median :1514.0 Median :1352.0 Median :1432.0 Median :1452.0 Median :1443.0 Median :1591 Median :1525.0 Median :1401.0 Median :1642.0 Median :1404.0 Median :1528.0 Median :1505.0 Median :2.0896 Median :-1.150e-12 Median :0.013971 Median :-0.6392 Median : 2.0003
1oao : 38 HEM :145 Mean :10.26 Mean : 78.97 Mean :24.36 Mean :110.2 Mean : 701.55 Mean : 15.6019 Mean :0.024309 Mean :0.12388 Mean :0 Mean : 1.3426 Mean : 10.147 Mean :0.22400 Mean : 0.4512 Mean : 4 Mean :0.01214 Mean :0.1438 Mean : 2.065 Mean : 2.07 Mean : 275.5 Mean : 275.5 Mean : 27.555 Mean : 15.3416 Mean :0.58637 Mean :0.216421 Mean : 1.3426 Mean : 10.147 Mean :0.22317 Mean :1.052 Mean : 1232787 Mean :3.384e+12 Mean :2.975e+18 Mean :2.577e+15 Mean :0.4399 Mean :0.05035 Mean :0.0014865 Mean :0.036297 Mean :1.531e+09 Mean :5.500e+18 Mean :6.783e+19 Mean :1.559e+15 Mean :8.812e+14 Mean :2.795e+16 Mean : 0.42211 Mean :0.054289 Mean : 0.52873 Mean :0.025318 Mean :0.017999 Mean : 0.220056 Mean : 3444 Mean : -0.03142 Mean :0.2716 Mean :0.45774 Mean :0.5757 Mean : 7.153 Mean : 4.147 Mean :2.8145 Mean : 634635 Mean :8.967e+11 Mean :3.576e+17 Mean :7.225e+14 Mean :0.65578 Mean :0.1162503 Mean :5.588e-03 Mean : 0.153350 Mean :7.967e+08 Mean :1.283e+18 Mean :1.696e+19 Mean :4.735e+14 Mean :3.075e+14 Mean :7.488e+15 Mean : 1.03961 Mean : 0.29040 Mean : 2.6761 Mean : 0.117832 Mean : 0.094154 Mean : 0.7982 Mean : 1917.70 Mean : -0.00961 Mean :0.27836 Mean :0.46244 Mean :0.58030 Mean : 6.760 Mean : 3.897 Mean :2.6453 Mean : 35.986 Mean : 24.480 Mean : 15.241 Mean : 24.657 Mean :13.502 Mean : 31.243 Mean : 28.27 Mean : 22.166 Mean :14.05210 Mean : 35.119 Mean : 41.359 Mean : 26.359 Mean : 37.281 Mean :16.08 Mean : 25.80 Mean : 39.345 Mean :1.4437 Mean : 33.822 Mean : 31.830 Mean :19.2135 Mean : 26.505 Mean :17.964 Mean :13.579 Mean : 19.652 Mean :10.029 Mean : 22.719 Mean : 22.375 Mean :15.511 Mean :12.6384 Mean : 25.980 Mean : 30.507 Mean :20.656 Mean : 28.127 Mean :13.310 Mean : 19.517 Mean : 29.314 Mean :1.4340 Mean : 26.080 Mean : 24.122 Mean :16.7655 Mean : 228.2 Mean : 228.2 Mean : 21.175 Mean : 13.217 Mean :0.6387 Mean :0.20700 Mean : 1.3406 Mean : 10.120 Mean :0.21009 Mean : 1.224 Mean :1507.1 Mean :1494.9 Mean :1498.4 Mean :1508.4 Mean :1362.6 Mean :1366.2 Mean :1383.5 Mean :1428.2 Mean :1477.9 Mean :1504.3 Mean :1487.2 Mean :1498 Mean :1504.4 Mean :1485 Mean :1368.5 Mean :1372.4 Mean :1369.7 Mean :1466.9 Mean :1537.3 Mean :1366.3 Mean :1096.5 Mean :1428.2 Mean :1622.7 Mean :1587.4 Mean :1598.6 Mean :1562 Mean :1423.6 Mean :1451.2 Mean :1515.5 Mean :1523.1 Mean :1505.8 Mean :1484.8 Mean :1359 Mean :1365.3 Mean :1388.5 Mean :1406.1 Mean :1493.8 Mean :1506.9 Mean :1468.1 Mean :1513.4 Mean :1514.7 Mean :1500.6 Mean :1367.7 Mean :1367.6 Mean :1369.6 Mean :1426.5 Mean :1512.6 Mean :1363.2 Mean :1483 Mean :1429.5 Mean :1629.3 Mean :1592.5 Mean :1602 Mean :1558.4 Mean :1419 Mean :1448.1 Mean :1427.5 Mean :1041 Mean :1547 Mean :1454 Mean :1544 Mean :1425 Mean :1431 Mean :1445.6 Mean :1510.7 Mean :1406.5 Mean :1450.9 Mean :1410.7 Mean :1415 Mean :1522.2 Mean :1444.8 Mean :1414.3 Mean :1604 Mean :1423.9 Mean :1433.2 Mean :1473 Mean :1466.8 Mean :1451.9 Mean :1561.1 Mean :1507.1 Mean :1554.6 Mean :1465.2 Mean :1482.7 Mean :1503.7 Mean :1498.8 Mean :1406.6 Mean :1439.4 Mean :1460.3 Mean :1441.1 Mean :1536.4 Mean :1490.4 Mean :1413 Mean :1602.3 Mean :1428 Mean :1464.7 Mean :1486.1 Mean : 182.4 Mean : 182.4 Mean : 16.351 Mean : 11.327 Mean :0.6628 Mean :0.19677 Mean : 1.3123 Mean : 9.874 Mean :0.19683 Mean : 1.239 Mean :1502.5 Mean :1524 Mean :1509.3 Mean :1524.9 Mean :1368.5 Mean :1372 Mean :1390.6 Mean :1427.9 Mean :1487 Mean :1493.9 Mean :1492.4 Mean :1507.4 Mean :1504.9 Mean :1497.2 Mean :1373.9 Mean :1376.8 Mean :1373.3 Mean :1471.6 Mean :1547.8 Mean :1371.8 Mean :1039 Mean :1441 Mean :1609.3 Mean :1580.8 Mean :1586.6 Mean :1549 Mean :1423 Mean :1453 Mean :1489.9 Mean :1533.9 Mean :1487.9 Mean :1513.6 Mean :1365.9 Mean :1371.6 Mean :1396.5 Mean :1407 Mean :1498 Mean :1491.5 Mean :1506.5 Mean :1526.0 Mean :1499.7 Mean :1522.2 Mean :1372 Mean :1373.4 Mean :1372.2 Mean :1438.5 Mean :1522.1 Mean :1368.6 Mean :1487.5 Mean :1438.9 Mean :1614.5 Mean :1585.5 Mean :1588.7 Mean :1541.1 Mean :1421.9 Mean :1450.7 Mean :1425.4 Mean :1036.5 Mean :1537 Mean :1471.6 Mean :1527.3 Mean :1459.1 Mean :1448.3 Mean :1461.1 Mean :1517.7 Mean :1405.9 Mean :1426.3 Mean :1433.9 Mean :1412.2 Mean :1522.2 Mean :1470.7 Mean :1409.1 Mean :1585.4 Mean :1435.5 Mean :1453.8 Mean :1507.0 Mean :1482.9 Mean :1460.6 Mean :1557.0 Mean :1515.6 Mean :1546.3 Mean :1473.8 Mean :1496.0 Mean :1515 Mean :1489.2 Mean :1432.3 Mean :1449.1 Mean :1476.5 Mean :1450.5 Mean :1538 Mean :1488.2 Mean :1439.9 Mean :1584.5 Mean :1450.7 Mean :1476.1 Mean :1481.3 Mean :2.1426 Mean :-1.507e-10 Mean :0.017026 Mean :-0.6712 Mean : 2.6050
1w8q : 37 ZN :104 3rd Qu.:13.00 3rd Qu.: 88.00 3rd Qu.:43.00 3rd Qu.:153.0 3rd Qu.: 585.80 3rd Qu.: 17.0015 3rd Qu.:0.029895 3rd Qu.:0.14473 3rd Qu.:0 3rd Qu.: 1.5044 3rd Qu.: 12.038 3rd Qu.:0.25710 3rd Qu.: 0.1360 3rd Qu.: 6 3rd Qu.:0.00000 3rd Qu.:0.0000 3rd Qu.: 3.000 3rd Qu.: 3.00 3rd Qu.: 70.0 3rd Qu.: 70.0 3rd Qu.: 28.008 3rd Qu.: 16.3339 3rd Qu.:0.67907 3rd Qu.:0.247901 3rd Qu.: 1.5044 3rd Qu.: 12.038 3rd Qu.:0.24952 3rd Qu.:1.000 3rd Qu.: 316763 3rd Qu.:2.325e+10 3rd Qu.:4.747e+14 3rd Qu.:1.186e+12 3rd Qu.:0.5178 3rd Qu.:0.05382 3rd Qu.:0.0013144 3rd Qu.:0.021814 3rd Qu.:4.702e+07 3rd Qu.:2.851e+14 3rd Qu.:1.091e+15 3rd Qu.:6.478e+11 3rd Qu.:3.012e+11 3rd Qu.:7.316e+12 3rd Qu.: 0.44114 3rd Qu.:0.020274 3rd Qu.: 0.10533 3rd Qu.:0.013232 3rd Qu.:0.006450 3rd Qu.: 0.118899 3rd Qu.: 3501 3rd Qu.: 0.55791 3rd Qu.:0.4009 3rd Qu.:0.66660 3rd Qu.:0.7566 3rd Qu.: 8.174 3rd Qu.: 4.654 3rd Qu.:3.2893 3rd Qu.: 133903 3rd Qu.:4.657e+09 3rd Qu.:4.546e+13 3rd Qu.:2.466e+11 3rd Qu.:0.83324 3rd Qu.:0.1472746 3rd Qu.:6.254e-03 3rd Qu.: 0.089729 3rd Qu.:1.862e+07 3rd Qu.:5.063e+13 3rd Qu.:1.746e+14 3rd Qu.:1.644e+11 3rd Qu.:8.961e+10 3rd Qu.:1.182e+12 3rd Qu.: 1.18476 3rd Qu.: 0.16024 3rd Qu.: 0.7633 3rd Qu.: 0.058969 3rd Qu.: 0.032623 3rd Qu.: 0.4937 3rd Qu.: 2041.74 3rd Qu.: 0.58752 3rd Qu.:0.41478 3rd Qu.:0.67184 3rd Qu.:0.76866 3rd Qu.: 7.746 3rd Qu.: 4.290 3rd Qu.:3.0546 3rd Qu.: 44.421 3rd Qu.: 28.910 3rd Qu.: 18.545 3rd Qu.: 30.596 3rd Qu.:17.437 3rd Qu.: 39.597 3rd Qu.: 34.75 3rd Qu.: 27.684 3rd Qu.:17.74406 3rd Qu.: 41.229 3rd Qu.: 49.807 3rd Qu.: 31.911 3rd Qu.: 44.889 3rd Qu.:21.40 3rd Qu.: 33.38 3rd Qu.: 47.600 3rd Qu.:1.5787 3rd Qu.: 41.971 3rd Qu.: 39.679 3rd Qu.:24.9844 3rd Qu.: 32.588 3rd Qu.:22.078 3rd Qu.:16.556 3rd Qu.: 24.127 3rd Qu.:12.338 3rd Qu.: 28.630 3rd Qu.: 29.104 3rd Qu.:19.308 3rd Qu.:17.0075 3rd Qu.: 30.898 3rd Qu.: 38.558 3rd Qu.:25.940 3rd Qu.: 35.916 3rd Qu.:17.130 3rd Qu.: 24.893 3rd Qu.: 35.997 3rd Qu.:1.5746 3rd Qu.: 32.063 3rd Qu.: 29.979 3rd Qu.:22.0093 3rd Qu.: 47.0 3rd Qu.: 47.0 3rd Qu.: 21.424 3rd Qu.: 14.534 3rd Qu.:0.7458 3rd Qu.:0.23875 3rd Qu.: 1.5044 3rd Qu.: 12.038 3rd Qu.:0.23568 3rd Qu.: 1.000 3rd Qu.:2269.0 3rd Qu.:2241.0 3rd Qu.:2244.5 3rd Qu.:2243.5 3rd Qu.:2038.0 3rd Qu.:2051.5 3rd Qu.:2053.5 3rd Qu.:2173.5 3rd Qu.:2213.5 3rd Qu.:2239.0 3rd Qu.:2245.5 3rd Qu.:2239 3rd Qu.:2238.0 3rd Qu.:2243 3rd Qu.:2044.5 3rd Qu.:2058.5 3rd Qu.:2058.5 3rd Qu.:2280.5 3rd Qu.:2327.5 3rd Qu.:2048.5 3rd Qu.:1624.5 3rd Qu.:2130.5 3rd Qu.:2363.5 3rd Qu.:2344.5 3rd Qu.:2326.5 3rd Qu.:2242 3rd Qu.:2066.5 3rd Qu.:2117.5 3rd Qu.:2261.5 3rd Qu.:2270.5 3rd Qu.:2243.5 3rd Qu.:2221.5 3rd Qu.:2060 3rd Qu.:2068.5 3rd Qu.:2115.0 3rd Qu.:2160.0 3rd Qu.:2241.5 3rd Qu.:2249.0 3rd Qu.:2225.5 3rd Qu.:2259.5 3rd Qu.:2257.0 3rd Qu.:2247.5 3rd Qu.:2077.5 3rd Qu.:2085.0 3rd Qu.:2087.0 3rd Qu.:2198.5 3rd Qu.:2311.5 3rd Qu.:2074.5 3rd Qu.:2240 3rd Qu.:2134.5 3rd Qu.:2366.5 3rd Qu.:2342.5 3rd Qu.:2332 3rd Qu.:2227.5 3rd Qu.:2055 3rd Qu.:2116.5 3rd Qu.:2125.5 3rd Qu.:1671 3rd Qu.:2302 3rd Qu.:2254 3rd Qu.:2320 3rd Qu.:2198 3rd Qu.:2210 3rd Qu.:2237.5 3rd Qu.:2302.5 3rd Qu.:2082.5 3rd Qu.:2140.5 3rd Qu.:2174.5 3rd Qu.:2126 3rd Qu.:2263.5 3rd Qu.:2217.5 3rd Qu.:2091.5 3rd Qu.:2302 3rd Qu.:2137.5 3rd Qu.:2217.0 3rd Qu.:2270 3rd Qu.:2284.0 3rd Qu.:2268.5 3rd Qu.:2302.0 3rd Qu.:2277.5 3rd Qu.:2306.5 3rd Qu.:2237.5 3rd Qu.:2259.0 3rd Qu.:2317.5 3rd Qu.:2252.5 3rd Qu.:2122.0 3rd Qu.:2171.5 3rd Qu.:2269.5 3rd Qu.:2180.5 3rd Qu.:2282.5 3rd Qu.:2283.5 3rd Qu.:2122 3rd Qu.:2300.0 3rd Qu.:2152 3rd Qu.:2238.5 3rd Qu.:2282.5 3rd Qu.: 32.5 3rd Qu.: 32.5 3rd Qu.: 16.920 3rd Qu.: 12.678 3rd Qu.:0.8118 3rd Qu.:0.22947 3rd Qu.: 1.5044 3rd Qu.: 12.038 3rd Qu.:0.22170 3rd Qu.: 1.000 3rd Qu.:2240.5 3rd Qu.:2272 3rd Qu.:2273.0 3rd Qu.:2267.5 3rd Qu.:2051.5 3rd Qu.:2056 3rd Qu.:2071.5 3rd Qu.:2242.5 3rd Qu.:2260 3rd Qu.:2259.0 3rd Qu.:2259.0 3rd Qu.:2246.5 3rd Qu.:2257.5 3rd Qu.:2252.5 3rd Qu.:2071.5 3rd Qu.:2072.5 3rd Qu.:2078.5 3rd Qu.:2297.5 3rd Qu.:2306.5 3rd Qu.:2064.5 3rd Qu.:1582 3rd Qu.:2150 3rd Qu.:2333.0 3rd Qu.:2317.5 3rd Qu.:2315.5 3rd Qu.:2224 3rd Qu.:2060 3rd Qu.:2128 3rd Qu.:2238.5 3rd Qu.:2276.5 3rd Qu.:2252.0 3rd Qu.:2274.5 3rd Qu.:2072.0 3rd Qu.:2066.0 3rd Qu.:2139.5 3rd Qu.:2204 3rd Qu.:2254 3rd Qu.:2264.0 3rd Qu.:2273.5 3rd Qu.:2272.5 3rd Qu.:2246.5 3rd Qu.:2283.0 3rd Qu.:2092 3rd Qu.:2097.5 3rd Qu.:2103.0 3rd Qu.:2273.0 3rd Qu.:2319.5 3rd Qu.:2089.5 3rd Qu.:2275.0 3rd Qu.:2155.5 3rd Qu.:2331.5 3rd Qu.:2317.5 3rd Qu.:2309.5 3rd Qu.:2213.5 3rd Qu.:2052.0 3rd Qu.:2112.5 3rd Qu.:2224.0 3rd Qu.:1731.5 3rd Qu.:2258 3rd Qu.:2252.5 3rd Qu.:2280.5 3rd Qu.:2253.0 3rd Qu.:2232.0 3rd Qu.:2274.5 3rd Qu.:2294.0 3rd Qu.:2143.5 3rd Qu.:2174.0 3rd Qu.:2271.5 3rd Qu.:2156.5 3rd Qu.:2249.5 3rd Qu.:2259.5 3rd Qu.:2154.5 3rd Qu.:2272.0 3rd Qu.:2221.0 3rd Qu.:2257.5 3rd Qu.:2301.5 3rd Qu.:2270.5 3rd Qu.:2291.0 3rd Qu.:2270.5 3rd Qu.:2291.5 3rd Qu.:2290.5 3rd Qu.:2263.5 3rd Qu.:2264.0 3rd Qu.:2300 3rd Qu.:2245.5 3rd Qu.:2264.5 3rd Qu.:2220.5 3rd Qu.:2305.5 3rd Qu.:2201.0 3rd Qu.:2272 3rd Qu.:2266.0 3rd Qu.:2203.5 3rd Qu.:2271.0 3rd Qu.:2248.5 3rd Qu.:2245.0 3rd Qu.:2272.0 3rd Qu.:2.4922 3rd Qu.: 3.240e-11 3rd Qu.:0.021660 3rd Qu.:-0.5008 3rd Qu.: 3.0005
2r8y : 30 CL : 95 Max. :53.00 Max. :375.00 Max. :50.00 Max. :194.0 Max. :11861.59 Max. :171.3310 Max. :0.132370 Max. :0.91800 Max. :0 Max. :27.1637 Max. :101.722 Max. :2.36216 Max. :22.7680 Max. :63 Max. :3.00000 Max. :8.0000 Max. :18.000 Max. :26.00 Max. :11764.0 Max. :11764.0 Max. :383.584 Max. :170.1131 Max. :4.55446 Max. :5.242593 Max. :27.1637 Max. :101.722 Max. :6.64729 Max. :8.000 Max. :76476358 Max. :6.478e+14 Max. :1.127e+21 Max. :7.905e+17 Max. :3.0243 Max. :0.99988 Max. :0.0827771 Max. :6.377750 Max. :1.929e+11 Max. :1.977e+21 Max. :2.871e+22 Max. :3.960e+17 Max. :2.171e+17 Max. :9.458e+18 Max. :14.62182 Max. :8.856281 Max. :162.05741 Max. :6.936490 Max. :7.308983 Max. :27.022327 Max. :47948 Max. : 28.61523 Max. :0.9678 Max. :0.99665 Max. :0.9968 Max. :37.400 Max. :18.725 Max. :8.6426 Max. :24714871 Max. :8.972e+13 Max. :6.329e+19 Max. :9.725e+16 Max. :3.21429 Max. :1.3684907 Max. :2.274e-01 Max. :21.574881 Max. :5.524e+10 Max. :3.508e+20 Max. :2.379e+21 Max. :7.447e+16 Max. :7.341e+16 Max. :9.857e+17 Max. :23.56627 Max. :37.23204 Max. :511.3026 Max. :23.870786 Max. :25.401389 Max. :49.9897 Max. :21264.14 Max. : 33.24752 Max. :0.96453 Max. :0.99712 Max. :0.99751 Max. :35.966 Max. :18.077 Max. :8.4743 Max. :231.396 Max. :106.989 Max. :121.772 Max. :167.866 Max. :73.698 Max. :172.162 Max. :166.35 Max. :109.055 Max. :77.71894 Max. :177.971 Max. :276.734 Max. :115.057 Max. :247.122 Max. :97.98 Max. :142.59 Max. :234.463 Max. :2.0826 Max. :190.768 Max. :205.894 Max. :91.8505 Max. :152.152 Max. :71.249 Max. :87.309 Max. :113.920 Max. :61.664 Max. :122.184 Max. :125.789 Max. :83.787 Max. :70.5839 Max. :118.097 Max. :180.597 Max. :81.134 Max. :167.254 Max. :82.495 Max. :102.056 Max. :154.886 Max. :2.0819 Max. :136.019 Max. :137.303 Max. :75.9214 Max. :11796.0 Max. :11796.0 Max. :310.200 Max. :157.642 Max. :5.2154 Max. :5.59081 Max. :27.1637 Max. :101.722 Max. :6.68747 Max. :12.000 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2233.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2233 Max. :2970 Max. :2970 Max. :2970 Max. :2970 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970 Max. :2970.0 Max. :2970.0 Max. :8845.0 Max. :8845.0 Max. :248.336 Max. :145.835 Max. :6.2512 Max. :5.88611 Max. :27.1637 Max. :101.722 Max. :6.54564 Max. :15.000 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2016 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2016.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :2781.0 Max. :3.6823 Max. : 4.449e-08 Max. :0.176686 Max. :-0.1905 Max. :27.3234
(Other):1816 (Other):974 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA

Korelacje między zmiennymi

Korelacje między zmiennymi. Pominięto local_min.

corrplot(cor(Data %>% select(local_res_atom_non_h_count:local_std,local_max:FoFc_max)),method="color", tl.cex = 0.1)

Wykresy rozkładów liczby atomów oraz elektronów

Rozklad liczby atomów

ggplotly(ggplot(Data, aes(x=local_res_atom_non_h_count)) + geom_histogram(col=I("black"),bins = 30) )

Rozklad liczby elektronów

ggplotly(ggplot(Data, aes(x=local_res_atom_non_h_electron_sum)) + geom_histogram(col=I("black"),bins = 30))

Największa niezgodność

10 klas z największą niezgodnością liczby atomów

kable(head(Data%>%select(res_name, local_res_atom_non_h_count,dict_atom_non_h_count)%>%group_by(res_name)%>%summarise_all(funs(sum))%>%mutate(delta = abs(local_res_atom_non_h_count - dict_atom_non_h_count))%>%arrange(desc(delta)),10))
res_name local_res_atom_non_h_count dict_atom_non_h_count delta
SO4 1755 15093 13338
GOL 1308 10246 8938
EDO 380 3325 2945
PO4 310 2666 2356
PEG 280 1960 1680
ACT 136 1190 1054
NAG 2408 1376 1032
HEM 6234 5220 1014
ACY 116 1015 899
FMT 87 696 609

Rozklad wartosci kolumn ‘part’

part <- Data %>% select(part_01_shape_segments_count:part_01_density_Z_4_0)
for (i in 1:length(part)) {
  Bez_NA <-  part[,i][!is.na(part[,i])]
  
  avg <- mean(Bez_NA)
  
    p <- ggplot() + aes(Bez_NA) + geom_bar(col=I("black")) + xlab(names(part[i])) + geom_vline(xintercept=avg, color="red") + annotate("text", x=avg,y=-10, label=c(avg), color="red")
  
  print(p)
  
}

Przewidywanie liczby elektronów i atomów na podstawie innych kolumn

lm_data <- Data
lm_data[is.na(lm_data)] <- 0
lm_data <- lm_data[sapply(lm_data, is.numeric)]
lm_atom_model <- lm(local_res_atom_non_h_count ~ ., lm_data)
lm_atom_summary <- summary(lm_atom_model)
lm_electron_model <- lm(local_res_atom_non_h_electron_sum ~ ., lm_data)
lm_electron_summary <- summary(lm_electron_model)

Miary dla liczby atomów: R^2: 0.9951683 RMSE 1.010027

Miary dla liczby elektronów: R^2: 0.9949885 RMSE 6.9170261

Klasyfikator Bayesa na atrybucie res_name

Klasyfikator<-predict(naiveBayes(res_name ~., data=Data[-1]),Data[-1])
Klasyfikator == Data$res_name
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## [1750]  TRUE  TRUE FALSE FALSE  TRUE  TRUE FALSE  TRUE FALSE  TRUE  TRUE
## [1761]  TRUE  TRUE  TRUE FALSE FALSE FALSE FALSE  TRUE  TRUE  TRUE  TRUE
## [1772]  TRUE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1783] FALSE FALSE FALSE FALSE  TRUE FALSE  TRUE FALSE FALSE FALSE FALSE
## [1794] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1805] FALSE  TRUE FALSE  TRUE FALSE FALSE  TRUE FALSE  TRUE  TRUE FALSE
## [1816] FALSE FALSE FALSE FALSE FALSE  TRUE  TRUE FALSE  TRUE FALSE FALSE
## [1827]  TRUE  TRUE  TRUE FALSE  TRUE FALSE  TRUE  TRUE FALSE FALSE  TRUE
## [1838]  TRUE FALSE FALSE FALSE  TRUE FALSE FALSE  TRUE  TRUE  TRUE FALSE
## [1849] FALSE FALSE  TRUE FALSE  TRUE FALSE FALSE  TRUE FALSE  TRUE  TRUE
## [1860]  TRUE  TRUE  TRUE FALSE  TRUE  TRUE  TRUE  TRUE FALSE  TRUE FALSE
## [1871] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1882]  TRUE  TRUE FALSE  TRUE FALSE FALSE FALSE FALSE FALSE FALSE  TRUE
## [1893] FALSE FALSE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE
## [1904]  TRUE  TRUE FALSE FALSE FALSE  TRUE FALSE FALSE FALSE FALSE FALSE
## [1915] FALSE FALSE  TRUE FALSE FALSE  TRUE  TRUE  TRUE FALSE FALSE FALSE
## [1926] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1937] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1948] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE  TRUE  TRUE  TRUE
## [1959] FALSE  TRUE  TRUE  TRUE  TRUE FALSE FALSE FALSE  TRUE  TRUE FALSE
## [1970] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE  TRUE
## [1981] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [1992] FALSE FALSE  TRUE FALSE  TRUE  TRUE FALSE FALSE FALSE FALSE FALSE
## [2003] FALSE FALSE  TRUE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [2014] FALSE FALSE FALSE FALSE FALSE FALSE  TRUE FALSE FALSE FALSE  TRUE
## [2025] FALSE FALSE FALSE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE  TRUE
## [2036] FALSE  TRUE  TRUE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [2047] FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE FALSE
## [2058] FALSE FALSE

Dokładność klasyfikatora: 3.6507092